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CHEMBRIDGE-ZINC04832516

MMsINC code: MMs00795114

Type: Neutral
Formula: C15H11Cl2NO4
SMILES:   Clc1cc(cc(Cl)c1OC)C(=O)Nc1ccccc1C(O)=O
InChI:   InChI=1/C15H11Cl2NO4/c1-22-13-10(16)6-8(7-11(13)17)14(19)18-12-5-3-2-4-9(12)15(20)21/h2-7H,1H3,(H,18,19)(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=84.5765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.162 g/mol  logS: -4.84323  SlogP: 3.9525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0236147  Sterimol/B1: 2.35242  Sterimol/B2: 4.0611  Sterimol/B3: 4.69986
  Sterimol/B4: 5.32265  Sterimol/L: 16.176 
 
 Surface and Volume Properties
  Accessible surface: 529.186  Positive charged surface: 260.153  Negative charged surface: 269.033  Volume: 281.625
  Hydrophobic surface: 405.951  Hydrophilic surface: 123.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules


MMs00795115
CHEMBRIDGE-ZINC04832516